C155H311N19O20 — CID 158085253
tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;3-(dimethylamino)-1-propan-2-ylcyclohexan-1-ol;3-ethoxy-N,N-dimethyl-3-propan-2-ylcyclohexan-1-amine;1-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;3-methoxy-1,3-di(propan-2-yl)piperidine;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-methyl-2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propanamide;3-propan-2-ylazetidine;3-propan-2-ylpiperidin-3-ol;2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 158085253) has the molecular formula C155H311N19O20 and a molecular weight of 2761.31 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;3-(dimethylamino)-1-propan-2-ylcyclohexan-1-ol;3-ethoxy-N,N-dimethyl-3-propan-2-ylcyclohexan-1-amine;1-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;3-methoxy-1,3-di(propan-2-yl)piperidine;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-methyl-2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propanamide;3-propan-2-ylazetidine;3-propan-2-ylpiperidin-3-ol;2-(4-propan-2-ylpiperidin-1-yl)acetamide.
| Compound Name | tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;3-(dimethylamino)-1-propan-2-ylcyclohexan-1-ol;3-ethoxy-N,N-dimethyl-3-propan-2-ylcyclohexan-1-amine;1-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;3-methoxy-1,3-di(propan-2-yl)piperidine;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-methyl-2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propanamide;3-propan-2-ylazetidine;3-propan-2-ylpiperidin-3-ol;2-(4-propan-2-ylpiperidin-1-yl)acetamide |
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| PubChem CID | 158085253 |
| Molecular Formula | C155H311N19O20 |
| Molecular Weight | 2761.31 g/mol |
| Exact Mass | 2759.39 |
| IUPAC Name | tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;3-(dimethylamino)-1-propan-2-ylcyclohexan-1-ol;3-ethoxy-N,N-dimethyl-3-propan-2-ylcyclohexan-1-amine;1-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;3-methoxy-1,3-di(propan-2-yl)piperidine;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-methyl-2-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]propanamide;3-propan-2-ylazetidine;3-propan-2-ylpiperidin-3-ol;2-(4-propan-2-ylpiperidin-1-yl)acetamide |
| SMILES | CC(=O)N1CCCC(O)(C(C)C)C1.CC(C)C1(O)CCCC(N(C)C)C1.CC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1(O)CCCNC1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.CC(C)C1CNC1.CC(C)N(C)C1CCN(C(C)(C)C(N)=O)CC1.CCOC1(C(C)C)CCCC(N(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1.COC1(C(C)C)CCCN(C(C)C)C1 |
| InChI | InChI=1S/C13H27N3O.C13H26N2O2.C13H25NO2.C13H27NO.C12H24N2O2.C12H23NO2.C12H25NO.2C11H21NO2.C11H23NO.C10H20N2O.C10H19NO2.C8H17NO.C6H13N/c1-10(2)15(5)11-6-8-16(9-7-11)13(3,4)12(14)17;1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-6-15-13(11(2)3)9-7-8-12(10-13)14(4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-10(2)12(14-5)7-6-8-13(9-12)11(3)4;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-9(2)11(13)7-5-6-10(8-11)12(3)4;1-8(2)9-3-5-12(6-4-9)7-10(11)13;1-8(2)10(13)5-4-6-11(7-10)9(3)12;1-7(2)8(10)4-3-5-9-6-8;1-5(2)6-3-7-4-6/h10-11H,6-9H2,1-5H3,(H2,14,17);10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;11-12H,6-10H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);9-10H,6-8H2,1-5H3;10-11H,6-9H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;9-10,13H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13);8,13H,4-7H2,1-3H3;7,9-10H,3-6H2,1-2H3;5-7H,3-4H2,1-2H3 |
| InChIKey | FNKYLDQZHLPSNY-UHFFFAOYSA-N |
| XLogP | 24.35 |
| TPSA | 469.42 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2761.31 |
| LogP ≤ 5 | 24.35 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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